8EBR
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 30ms
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE MFX |
Synchrotron site | SLAC LCLS |
Beamline | MFX |
Temperature [K] | 300 |
Detector technology | PIXEL |
Collection date | 2020-10-11 |
Detector | SLAC ePix10k 2M |
Wavelength(s) | 1.26 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.180, 98.540, 112.310 |
Unit cell angles | 90.00, 108.93, 90.00 |
Refinement procedure
Resolution | 20.400 - 2.800 |
R-factor | 0.232 |
Rwork | 0.230 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b5x |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | MOLREP |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.400 | 3.060 |
High resolution limit [Å] | 2.800 | 2.950 |
Number of reflections | 37864 | 1945 |
<I/σ(I)> | 3.09 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 119 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 4.1 | 300 | 2.4 M ammonium phosphate |